SCHEMBL7140129

SCHEMBL7140129

CCCCCCCCCCCCCC(=O)O[C@@H](CCCCCCCCCCC)CCO[C@@H]1[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H](O)O[C@H](COC)[C@H]1OP(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 13/20 0.39
▸ TNF P01375 2/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ TLR2 O60603 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7140127 1.00 TLR4 (0.39) TLR4TNFESR1PGRTLR2
SCHEMBL7143876 0.93 TLR4 (0.38) TLR4ESR1PGRTLR2
SCHEMBL7143874 0.93 TLR4 (0.38) TLR4ESR1PGRTLR2
SCHEMBL7140283 0.92 TLR4 (0.38) TLR4TNF
SCHEMBL7140281 0.92 TLR4 (0.38) TLR4TNF
SCHEMBL7140251 0.92 TLR4 (0.36) TLR4TNFESR1PGRTLR2
SCHEMBL7521487 0.92 TLR4 (0.36) TLR4TNFESR1PGRTLR2
SCHEMBL7140247 0.92 TLR4 (0.36) TLR4TNFESR1PGRTLR2
SCHEMBL7136847 0.90 TLR4 (0.39) TLR4TNF
SCHEMBL7142546 0.90 TLR4 (0.41) TLR4TNF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6511965-B2 For therapy and prophylaxis of inflammatory disorders, autoimmune diseases or septicemia SANKYO COMPANY, LIMITED (JP) 2003-01-28 — — US disclosed
US-20020161221-A1 Ether type lipid a 1-carboxylic acid analogs SANKYO COMPANY, LIMITED (JP) 2002-10-31 — — US disclosed
EP-1152007-A1 ETHER TYPE LIPID A1-CARBOXYLIC ACID ANALOGUES Sankyo Company, Limited (JP) 2001-11-07 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020161221-A1 Ether type lipid a 1-carboxylic acid analogs MSR1, ELOVL1, FFAR1 TLR4 296/4885TNF 589/4885ESR1 1067/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback